[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone

C24H20F3N3O2S — CID 31759174

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone (PubChem CID 31759174) has the molecular formula C24H20F3N3O2S and a molecular weight of 471.50 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

• Compound Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
• PubChem CID: 31759174
• Molecular Formula: C24H20F3N3O2S
• Molecular Weight: 471.50 g/mol
• Exact Mass: 471.12
• IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC(c2nc3ccccc3o2)CC1
• InChI: InChI=1S/C24H20F3N3O2S/c1-14-20(33-22(28-14)16-6-8-17(9-7-16)24(25,26)27)23(31)30-12-10-15(11-13-30)21-29-18-4-2-3-5-19(18)32-21/h2-9,15H,10-13H2,1H3
• InChIKey: OMGAGCJPCVIPTB-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.50
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?

The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone (CID 31759174) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone.

What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?

The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC(c2nc3ccccc3o2)CC1.

What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?

The InChIKey is OMGAGCJPCVIPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2S/c1-14-20(33-22(28-14)16-6-8-17(9-7-16)24(25,26)27)23(31)30-12-10-15(11-13-30)21-29-18-4-2-3-5-19(18)32-21/h2-9,15H,10-13H2,1H3.

What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 471.50 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 31759174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).